Structure of PDB 7v3e Chain B Binding Site BS02
Receptor Information
>7v3e Chain B (length=280) Species:
249581
(Streptomyces ossamyceticus) [
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RTADLERARLGDDGLDFQDDAAQARAFAQGVFLLEIPEWLDLSAGDRFAR
QFFQGTGVEPYGKYRDLSSEHFGDELLGYHSRVDQLEQFLLERRFWGEVY
PSEIATLGEHLTLLSHRVLRSVLASAGIPEEDWHRASGGCSETNGSYHLT
FNHYRSAHQDIGLSSHKDDGFITVLRTTAQGLEVNRDDVWEKVPVDPACF
VVNFGLSMEILTSACVTPLSAIMHRVSHQNFDRSSFGHFSSSRCLPGADD
GIYRYLPSAGLERVCGSRELIEENDHEIYM
Ligand information
Ligand ID
AKG
InChI
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKey
KPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6
C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385
OC(=O)CCC(=O)C(O)=O
Formula
C5 H6 O5
Name
2-OXOGLUTARIC ACID
ChEMBL
CHEMBL1686
DrugBank
DB08845
ZINC
ZINC000001532519
PDB chain
7v3e Chain B Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
7v3e
The crystal structure of SoBcmB and its side way intermediate product
Resolution
2.12 Å
Binding residue
(original residue number in PDB)
N184 Y186 L195 H198 L207 V258 R265 S267 F271
Binding residue
(residue number reindexed from 1)
N152 Y154 L163 H166 L175 V226 R233 S235 F239
Annotation score
4
External links
PDB
RCSB:7v3e
,
PDBe:7v3e
,
PDBj:7v3e
PDBsum
7v3e
PubMed
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